bis(methylsulfanyl)-1,3,2λ5,4λ5-dithiadiphosphetane-2,4-dithione

• ChemBase ID: 137231
• Molecular Formular: C2H6P2S6
• Molecular Mass: 284.406562
• Monoisotopic Mass: 283.82689945
• SMILES: CSP1(=S)SP(=S)(S1)SC
• Canonical SMILES: CSP1(=S)SP(=S)(S1)SC
• InChI: InChI=1S/C2H6P2S6/c1-7-3(5)9-4(6,8-2)10-3/h1-2H3
• InChIKey: OIEQWZXDRGOGHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(methylsulfanyl)-1,3,2λ^5,4λ^5-dithiadiphosphetane-2,4-dithione
• IUPAC Traditional name: bis(methylsulfanyl)-1,3,2λ^5,4λ^5-dithiadiphosphetane-2,4-dithione
• Synonyms: DR-Me; 2,4-Bis(methylthio)-1,3,2,4-dithiadiphosphetane-2,4-disulfide; Davy Reagent methyl; 2,4-二(甲硫基)-1,3,2,4-二噻二磷杂丁环-2,4-二硫醚; Davy 试剂甲基

Database IDs

• CAS Number: 82737-61-9
• MDL Number: MFCD00043127
• Beilstein Number: 4182442
• PubChem SID: 24858379; 24873498; 162231496
• PubChem CID: 4520958

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6201916
• LogD (pH = 7.4): 3.6201916
• Log P: 3.6201916
• Molar Refractivity: 68.5568 cm^3
• Polarizability: 29.448166 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 105.8 °F; 41 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 22-50/53
• Safety Statements: 61
• GHS Pictograms: GHS02; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H410
• GHS Precautionary statements: P210-P273-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ~90% (S); 90%
• Grade: technical; technical grade
• Impurities: <15% p-dichlorobenzene
• Empirical Formula (Hill Notation): C2H6P2S6

DETAILS

Sigma Aldrich - 510351

Packaging
5 g in glass bottle

Sigma Aldrich - 30464

Other Notes
Reagent for the convenient dithiation of carboxylic acids to methyl dithioesters 1,2